MM-102

CAT: 0931-T6333-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0931-T6333-02Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1417329-24-8

Target

TNF, Interleukin, Histone Methyltransferase, NF-κB, Apoptosis

Related Pathways

Chromatin/Epigenetic, NF-κB, Immunology/Inflammation, Apoptosis

Purity

0.9999

Bioactivity

MM-102 (HMTase Inhibitor IX) is a potent inhibitor of WDR5/MLL interaction with IC50 of 2.4 nM and Ki of less than 1 nM in a WDR5 binding assay. MM-102 can also specifically inhibit cell growth and induce apoptosis in leukemia cells carrying MLL1 fusion protein.

Smiles

C(NC(C1=CC=C(F)C=C1)C2=CC=C(F)C=C2)(=O)C3(NC([C@@H](NC(C(NC(C(C)C)=O)(CC)CC)=O)CCCNC(=N)N)=O)CCCC3

Molecular Formula

C35H49F2N7O4

Molecular Weight

669.8

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

HMTase Inhibitor IX

HMTase Inhibitor IX is mM-102 (HMTase Inhibitor IX) is a high-affinity peptidomimetic inhibitor of the WDR5/MLL1 protein-protein interaction.

CAS Number	1417329-24-8
PubChem CID	54766613
IUPAC Name	N-[bis(4-fluorophenyl)methyl]-1-[[(2S)-5-(diaminomethylideneamino)-2-[[2-ethyl-2-(2-methylpropanoylamino)butanoyl]amino]pentanoyl]amino]cyclopentane-1-carboxamide
Molecular Formula	C35H49F2N7O4
Molecular Weight	669.8
XLogP	3.9
Topological Polar Surface Area	181
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	16
Heavy Atom Count	48
Formal Charge	0
Complexity	1080

SMILES

CCC(CC)(C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1(CCCC1)C(=O)NC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)NC(=O)C(C)C

InChI

InChI=1S/C35H49F2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1

InChIKey

RZKSQRIPRKWVBU-MHZLTWQESA-N

Chemical Structure

2D Structure

CAS: 1417329-24-8

CID: 54766613

Formula: C35H49F2N7O4

MW: 669.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	669.8
XLogP3	3.9
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	16
Exact Mass	669.38140939
Monoisotopic Mass	669.38140939
Topological Polar Surface Area	181 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1080
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
B1582-20	MM-102
MBS131121-01	MM 102
555880	MM-102 TFA

MM-102

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